SCHEMBL1897073

SCHEMBL1897073

CN(C)CCOc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3nnc(-c4ccco4)o3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.68
LMNA P02545 4/20 0.49
MCL1 Q07820 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ADCY8 P40145 1/20 0.45
ADCY1 Q08828 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1903799 0.91 STAT3 (0.71) STAT3LMNAMCL1NPC1RAB9A
SCHEMBL1899737 0.87 STAT3 (0.72) STAT3LMNAMCL1NPC1RAB9A
SCHEMBL1901062 0.87 STAT3 (0.77) STAT3LMNAMCL1NPC1RAB9A
SCHEMBL1898078 0.86 STAT3 (0.74) STAT3LMNANPC1RAB9AKDM4E
SCHEMBL1899883 0.83 STAT3 (0.73) STAT3LMNANPC1RAB9AKDM4E
SCHEMBL1897448 0.83 STAT3 (0.81) STAT3LMNANPC1RAB9AKDM4E
SCHEMBL22471946 0.83 STAT3 (0.72) STAT3LMNANPC1RAB9AKDM4E
SCHEMBL1905449 0.83 STAT3 (0.84) STAT3LMNAMCL1NPC1RAB9A
SCHEMBL1900395 0.82 STAT3 (0.82) STAT3LMNAMCL1NPC1RAB9A
SCHEMBL1899809 0.81 STAT3 (1.00) STAT3LMNANPC1RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325181-B1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT GENERAL INCORPORATED ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2017-03-29 EP disclosed
US-8466290-B2 STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2013-06-18 US disclosed
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2011-07-14 US disclosed
EP-2325181-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT Pharma Ip General Incorporated Association (JP) 2011-05-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885LMNA 4766/4885MCL1 2785/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.